#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:32:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180084 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/30/7053092.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7053092
loop_
_publ_author_name
'Yuan, Shuai'
'Deng, Yong-Kai'
'Wang, Xing-Po'
'Sun, Di'
_publ_section_title
;
 A temperature-sensitive luminescent Ag20 nanocluster templated by
 carbonate in situ generated from atmospheric CO2 fixation
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2973
_journal_paper_doi               10.1039/c3nj00645j
_journal_volume                  37
_journal_year                    2013
_chemical_formula_sum            'C59 H132 Ag20 N14 O33 S10'
_chemical_formula_weight         4043.79
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.474(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.9534(18)
_cell_length_b                   12.6293(13)
_cell_length_c                   26.729(3)
_cell_measurement_reflns_used    2900
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      38.014
_cell_measurement_theta_min      4.803
_cell_volume                     5717.6(11)
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_sigmaI/netI    0.1086
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            27333
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    3.590
_exptl_absorpt_correction_T_max  0.7622
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.349
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3896
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.214
_refine_diff_density_min         -1.560
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         10019
_refine_ls_number_restraints     195
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1661
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0748P)²+155.9455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1933
_refine_ls_wR_factor_ref         0.2309
_reflns_number_gt                5322
_reflns_number_total             10019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3nj00645j.txt
_cod_data_source_block           p
_cod_original_cell_volume        5717.5(10)
_cod_database_code               7053092
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.96867(9) 0.53905(13) 0.32199(6) 0.0541(4) Uani 1 1 d .
Ag2 Ag 0.81484(9) 0.45513(13) 0.36156(7) 0.0611(5) Uani 1 1 d .
Ag3 Ag 0.72474(9) 0.36962(14) 0.45106(7) 0.0658(5) Uani 1 1 d .
Ag4 Ag 0.96917(8) 0.35403(14) 0.39576(6) 0.0572(4) Uani 1 1 d .
Ag5 Ag 1.13917(10) 0.60986(15) 0.34849(6) 0.0697(5) Uani 1 1 d .
Ag6 Ag 1.01030(9) 0.68470(14) 0.41074(6) 0.0613(5) Uani 1 1 d .
Ag7 Ag 0.82583(9) 0.57752(15) 0.45758(7) 0.0662(5) Uani 1 1 d .
Ag8 Ag 0.72530(10) 0.34507(16) 0.57271(7) 0.0716(5) Uani 1 1 d .
Ag9 Ag 1.1301(3) 0.7350(4) 0.50466(17) 0.0866(14) Uani 0.60 1 d PU
Ag9A Ag 1.1059(5) 0.7878(5) 0.5049(2) 0.089(2) Uani 0.40 1 d PU
Ag10 Ag 1.16485(11) 0.44017(18) 0.42369(7) 0.0881(7) Uani 1 1 d .
S1 S 1.0805(3) 0.4212(4) 0.35031(18) 0.0510(13) Uani 1 1 d .
S2 S 0.7330(3) 0.5092(4) 0.51672(19) 0.0535(13) Uani 1 1 d .
S3 S 0.8795(3) 0.6329(4) 0.37872(19) 0.0483(12) Uani 1 1 d .
S4 S 1.1452(3) 0.7513(5) 0.4161(2) 0.0612(14) Uani 1 1 d .
S5 S 0.8376(3) 0.2865(4) 0.41017(19) 0.0523(13) Uani 1 1 d .
C1 C 1.1166(11) 0.3243(18) 0.3042(7) 0.057(6) Uani 1 1 d .
C2 C 1.1274(15) 0.382(2) 0.2553(8) 0.083(8) Uani 1 1 d .
H2A H 1.1343 0.3308 0.2284 0.125 Uiso 1 1 calc R
H2B H 1.1742 0.4278 0.2586 0.125 Uiso 1 1 calc R
H2C H 1.0807 0.4259 0.2473 0.125 Uiso 1 1 calc R
C3 C 1.1918(15) 0.276(2) 0.3228(11) 0.113(11) Uani 1 1 d .
H3A H 1.2350 0.3267 0.3187 0.170 Uiso 1 1 calc R
H3B H 1.2020 0.2118 0.3036 0.170 Uiso 1 1 calc R
H3C H 1.1884 0.2583 0.3583 0.170 Uiso 1 1 calc R
C4 C 1.0526(15) 0.238(2) 0.2951(8) 0.085(8) Uani 1 1 d .
H4A H 1.0703 0.1872 0.2702 0.127 Uiso 1 1 calc R
H4B H 1.0033 0.2712 0.2827 0.127 Uiso 1 1 calc R
H4C H 1.0437 0.2009 0.3265 0.127 Uiso 1 1 calc R
C5 C 0.6446(13) 0.5983(19) 0.5187(8) 0.073(7) Uani 1 1 d DU
C6 C 0.665(3) 0.701(2) 0.5442(16) 0.199(18) Uiso 1 1 d DU
H6A H 0.6940 0.6864 0.5761 0.299 Uiso 1 1 calc R
H6B H 0.6168 0.7399 0.5505 0.299 Uiso 1 1 calc R
H6C H 0.6985 0.7430 0.5227 0.299 Uiso 1 1 calc R
C7 C 0.5899(19) 0.542(3) 0.5522(13) 0.150(13) Uiso 1 1 d DU
H7A H 0.5500 0.5918 0.5635 0.225 Uiso 1 1 calc R
H7B H 0.6200 0.5138 0.5814 0.225 Uiso 1 1 calc R
H7C H 0.5639 0.4837 0.5338 0.225 Uiso 1 1 calc R
C8 C 0.6150(13) 0.615(2) 0.4666(8) 0.080(8) Uani 1 1 d U
H8A H 0.6547 0.6536 0.4481 0.120 Uiso 1 1 calc R
H8B H 0.5662 0.6567 0.4665 0.120 Uiso 1 1 calc R
H8C H 0.6044 0.5466 0.4505 0.120 Uiso 1 1 calc R
C9 C 0.8209(9) 0.7454(12) 0.3480(6) 0.047(5) Uani 1 1 d D
C10 C 0.8716(16) 0.842(2) 0.3554(14) 0.086(7) Uani 0.50 1 d PDU
H10A H 0.8453 0.9026 0.3408 0.129 Uiso 0.50 1 d PR
H10B H 0.8811 0.8537 0.3906 0.129 Uiso 0.50 1 d PR
H10C H 0.9210 0.8316 0.3399 0.129 Uiso 0.50 1 d PR
C10A C 0.8653(18) 0.797(3) 0.3065(11) 0.086(7) Uani 0.50 1 d PDU
H10F H 0.8338 0.8528 0.2921 0.129 Uiso 0.50 1 d PR
H10D H 0.9143 0.8248 0.3201 0.129 Uiso 0.50 1 d PR
H10G H 0.8758 0.7451 0.2812 0.129 Uiso 0.50 1 d PR
C11 C 0.7445(14) 0.753(3) 0.3746(12) 0.085(7) Uani 0.50 1 d PDU
H11A H 0.7131 0.8096 0.3600 0.127 Uiso 0.50 1 d PR
H11B H 0.7163 0.6877 0.3709 0.127 Uiso 0.50 1 d PR
H11C H 0.7553 0.7675 0.4095 0.127 Uiso 0.50 1 d PR
C11A C 0.807(2) 0.821(2) 0.3902(9) 0.086(7) Uani 0.50 1 d PDU
H11F H 0.7777 0.8809 0.3779 0.129 Uiso 0.50 1 d PR
H11D H 0.7786 0.7853 0.4153 0.129 Uiso 0.50 1 d PR
H10E H 0.8574 0.8445 0.4045 0.129 Uiso 0.50 1 d PR
C12A C 0.7457(14) 0.693(2) 0.3282(13) 0.085(7) Uani 0.50 1 d PDU
H12A H 0.7118 0.7449 0.3119 0.128 Uiso 0.50 1 d PR
H12B H 0.7587 0.6394 0.3046 0.128 Uiso 0.50 1 d PR
H11E H 0.7190 0.6619 0.3554 0.128 Uiso 0.50 1 d PR
C12 C 0.809(2) 0.712(3) 0.2944(8) 0.086(7) Uani 0.50 1 d PDU
H12 H 0.7799 0.7651 0.2759 0.129 Uiso 0.50 1 d PR
H10H H 0.8603 0.7037 0.2804 0.129 Uiso 0.50 1 d PR
H12C H 0.7815 0.6461 0.2926 0.129 Uiso 0.50 1 d PR
C13 C 1.1565(15) 0.886(2) 0.3882(9) 0.083(8) Uani 1 1 d .
C14 C 1.207(3) 0.880(3) 0.3433(14) 0.22(3) Uani 1 1 d .
H14A H 1.2604 0.8583 0.3538 0.328 Uiso 1 1 calc R
H14B H 1.2085 0.9500 0.3274 0.328 Uiso 1 1 calc R
H14C H 1.1841 0.8286 0.3193 0.328 Uiso 1 1 calc R
C15 C 1.2129(19) 0.950(2) 0.4235(13) 0.133(13) Uani 1 1 d .
H15A H 1.2315 1.0122 0.4059 0.200 Uiso 1 1 calc R
H15B H 1.2581 0.9053 0.4340 0.200 Uiso 1 1 calc R
H15C H 1.1848 0.9718 0.4530 0.200 Uiso 1 1 calc R
C16 C 1.078(2) 0.937(2) 0.3781(14) 0.157(16) Uani 1 1 d .
H16A H 1.0415 0.8858 0.3627 0.236 Uiso 1 1 calc R
H16B H 1.0845 0.9972 0.3553 0.236 Uiso 1 1 calc R
H16C H 1.0578 0.9626 0.4096 0.236 Uiso 1 1 calc R
C17 C 0.8036(13) 0.1713(14) 0.3712(7) 0.070(7) Uani 1 1 d D
C18A C 0.8657(19) 0.088(3) 0.3817(14) 0.122(11) Uani 0.50 1 d PDU
H18A H 0.8522 0.0254 0.3628 0.183 Uiso 0.50 1 d PR
H18B H 0.9164 0.1133 0.3724 0.183 Uiso 0.50 1 d PR
H18C H 0.8677 0.0715 0.4168 0.183 Uiso 0.50 1 d PR
C18 C 0.8653(19) 0.140(3) 0.3338(13) 0.122(11) Uani 0.50 1 d PDU
H18F H 0.8461 0.0806 0.3143 0.183 Uiso 0.50 1 d PR
H18G H 0.8750 0.1983 0.3120 0.183 Uiso 0.50 1 d PR
H18D H 0.9135 0.1204 0.3516 0.183 Uiso 0.50 1 d PR
C19 C 0.789(2) 0.077(2) 0.4060(11) 0.122(11) Uani 0.50 1 d PDU
H19A H 0.7711 0.0175 0.3865 0.182 Uiso 0.50 1 d PR
H18E H 0.8368 0.0596 0.4245 0.182 Uiso 0.50 1 d PR
H19B H 0.7491 0.0968 0.4288 0.182 Uiso 0.50 1 d PR
C19A C 0.7236(17) 0.139(3) 0.3884(13) 0.123(11) Uani 0.50 1 d PDU
H19D H 0.7031 0.0793 0.3695 0.184 Uiso 0.50 1 d PR
H19C H 0.7285 0.1198 0.4232 0.184 Uiso 0.50 1 d PR
H19E H 0.6884 0.1976 0.3842 0.184 Uiso 0.50 1 d PR
C20 C 0.7273(18) 0.205(3) 0.3437(13) 0.122(11) Uani 0.50 1 d PDU
H20A H 0.7069 0.1480 0.3230 0.183 Uiso 0.50 1 d PR
H19F H 0.6893 0.2229 0.3679 0.183 Uiso 0.50 1 d PR
H20B H 0.7376 0.2651 0.3233 0.183 Uiso 0.50 1 d PR
C20A C 0.801(2) 0.208(3) 0.3175(9) 0.123(11) Uani 0.50 1 d PDU
H20D H 0.7830 0.1501 0.2962 0.184 Uiso 0.50 1 d PR
H20C H 0.7644 0.2658 0.3135 0.184 Uiso 0.50 1 d PR
H18H H 0.8522 0.2297 0.3084 0.184 Uiso 0.50 1 d PR
C21 C 1.0000 0.5000 0.5000 0.059(5) Uani 1 2 d SDU
C22 C 0.5727(15) 0.209(2) 0.5940(10) 0.087(8) Uani 1 1 d .
H22 H 0.5878 0.1703 0.5655 0.105 Uiso 1 1 calc R
C23 C 0.4787(16) 0.250(3) 0.6558(11) 0.109(10) Uani 1 1 d .
H23A H 0.4364 0.2986 0.6443 0.163 Uiso 1 1 calc R
H23B H 0.5239 0.2918 0.6690 0.163 Uiso 1 1 calc R
H23C H 0.4596 0.2046 0.6823 0.163 Uiso 1 1 calc R
C24 C 0.4480(17) 0.109(2) 0.5915(13) 0.127(12) Uani 1 1 d .
H24A H 0.4740 0.0707 0.5649 0.191 Uiso 1 1 calc R
H24B H 0.4012 0.1453 0.5774 0.191 Uiso 1 1 calc R
H24C H 0.4322 0.0582 0.6171 0.191 Uiso 1 1 calc R
C25 C 0.6360(17) 0.466(2) 0.3144(12) 0.096(9) Uani 1 1 d .
H25 H 0.6673 0.4640 0.2858 0.115 Uiso 1 1 calc R
C26 C 0.5080(17) 0.448(3) 0.3446(11) 0.113(10) Uani 1 1 d .
H26A H 0.5274 0.4869 0.3743 0.170 Uiso 1 1 calc R
H26B H 0.5048 0.3723 0.3525 0.170 Uiso 1 1 calc R
H26C H 0.4554 0.4742 0.3341 0.170 Uiso 1 1 calc R
C27 C 0.5216(16) 0.463(2) 0.2580(9) 0.096(9) Uani 1 1 d .
H27A H 0.5207 0.3904 0.2446 0.144 Uiso 1 1 calc R
H27B H 0.5504 0.5090 0.2357 0.144 Uiso 1 1 calc R
H27C H 0.4674 0.4885 0.2604 0.144 Uiso 1 1 calc R
C28 C 1.079(2) 0.664(3) 0.2308(13) 0.127(12) Uani 1 1 d .
H28 H 1.1349 0.6691 0.2337 0.152 Uiso 1 1 calc R
C29 C 1.097(2) 0.628(4) 0.1440(13) 0.19(2) Uani 1 1 d .
H29A H 1.1526 0.6387 0.1547 0.278 Uiso 1 1 calc R
H29B H 1.0834 0.6741 0.1157 0.278 Uiso 1 1 calc R
H29C H 1.0894 0.5536 0.1339 0.278 Uiso 1 1 calc R
C30 C 0.968(2) 0.663(3) 0.1746(13) 0.153(16) Uani 1 1 d .
H30A H 0.9480 0.7163 0.1972 0.230 Uiso 1 1 calc R
H30B H 0.9420 0.5950 0.1802 0.230 Uiso 1 1 calc R
H30C H 0.9584 0.6850 0.1398 0.230 Uiso 1 1 calc R
N1 N 0.5905(11) 0.2305(16) 0.4686(7) 0.067(5) Uani 1 1 d .
N2 N 0.8472(11) 0.4459(15) 0.2395(7) 0.061(5) Uani 1 1 d .
N3 N 1.2951(10) 0.5722(17) 0.3043(8) 0.072(6) Uani 1 1 d .
N4 N 0.5595(10) 0.4628(15) 0.3059(6) 0.059(5) Uani 1 1 d .
N5 N 1.0485(13) 0.6510(18) 0.1840(9) 0.093(7) Uani 1 1 d .
N6 N 0.5028(12) 0.1861(19) 0.6143(8) 0.083(6) Uani 1 1 d .
N7 N 0.9154(14) 0.7680(19) 0.5276(9) 0.198(15) Uani 1 1 d DU
O1 O 0.6531(8) 0.2106(12) 0.4959(6) 0.069(4) Uani 1 1 d .
O2 O 0.5936(8) 0.3065(14) 0.4386(6) 0.078(5) Uani 1 1 d .
O3 O 0.5314(9) 0.1784(16) 0.4717(8) 0.106(7) Uani 1 1 d .
O4 O 0.7973(13) 0.4423(18) 0.2702(7) 0.119(7) Uani 1 1 d .
O5 O 0.9176(11) 0.4467(18) 0.2520(7) 0.118(8) Uani 1 1 d .
O6 O 0.8266(11) 0.4504(14) 0.1958(6) 0.098(6) Uani 1 1 d .
O7 O 1.2395(8) 0.6289(15) 0.2914(6) 0.084(5) Uani 1 1 d .
O8 O 1.3478(11) 0.5646(19) 0.2761(7) 0.118(8) Uani 1 1 d .
O9 O 1.2951(8) 0.5245(15) 0.3449(6) 0.085(5) Uani 1 1 d .
O10 O 0.6722(8) 0.4716(17) 0.3555(6) 0.093(6) Uani 1 1 d .
O11 O 0.6178(10) 0.2790(17) 0.6111(7) 0.100(6) Uani 1 1 d .
O12 O 1.0445(11) 0.6716(16) 0.2707(7) 0.097(6) Uani 1 1 d .
O13 O 0.9496(13) 0.472(2) 0.4674(9) 0.066(5) Uani 0.50 1 d PDU
O14 O 1.0083(18) 0.508(2) 0.4540(4) 0.066(5) Uani 0.50 1 d PDU
O15 O 1.0638(10) 0.537(2) 0.4858(11) 0.069(5) Uani 0.50 1 d PDU
O16 O 0.8437(13) 0.764(3) 0.5213(13) 0.245(17) Uani 1 1 d DU
O17 O 0.944(2) 0.815(3) 0.5643(12) 0.29(2) Uani 1 1 d DU
O18 O 0.9568(15) 0.711(3) 0.5035(12) 0.244(18) Uani 1 1 d DU
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Ag1 S3 120.8(4) . .
O5 Ag1 S1 101.2(5) . .
S3 Ag1 S1 124.86(17) . .
O5 Ag1 O12 94.3(7) . .
S3 Ag1 O12 110.4(5) . .
S1 Ag1 O12 99.2(4) . .
O5 Ag1 Ag2 79.1(5) . .
S3 Ag1 Ag2 53.29(12) . .
S1 Ag1 Ag2 109.69(14) . .
O12 Ag1 Ag2 151.1(4) . .
O5 Ag1 Ag4 97.2(6) . .
S3 Ag1 Ag4 87.47(12) . .
S1 Ag1 Ag4 50.89(13) . .
O12 Ag1 Ag4 149.6(4) . .
Ag2 Ag1 Ag4 59.26(5) . .
O5 Ag1 Ag6 170.0(5) . .
S3 Ag1 Ag6 50.72(12) . .
S1 Ag1 Ag6 88.67(12) . .
O12 Ag1 Ag6 85.3(5) . .
Ag2 Ag1 Ag6 96.44(6) . .
Ag4 Ag1 Ag6 88.01(6) . .
O5 Ag1 Ag5 129.8(5) . .
S3 Ag1 Ag5 108.09(13) . .
S1 Ag1 Ag5 53.96(13) . .
O12 Ag1 Ag5 56.1(4) . .
Ag2 Ag1 Ag5 146.14(7) . .
Ag4 Ag1 Ag5 95.58(6) . .
Ag6 Ag1 Ag5 57.61(5) . .
O10 Ag2 O4 82.0(7) . .
O10 Ag2 S5 103.7(5) . .
O4 Ag2 S5 117.9(6) . .
O10 Ag2 S3 111.0(5) . .
O4 Ag2 S3 105.8(5) . .
S5 Ag2 S3 126.97(17) . .
O10 Ag2 Ag7 92.2(4) . .
O4 Ag2 Ag7 152.6(6) . .
S5 Ag2 Ag7 89.54(13) . .
S3 Ag2 Ag7 51.44(12) . .
O10 Ag2 Ag4 154.9(5) . .
O4 Ag2 Ag4 109.9(6) . .
S5 Ag2 Ag4 51.20(12) . .
S3 Ag2 Ag4 87.54(11) . .
Ag7 Ag2 Ag4 86.43(6) . .
O10 Ag2 Ag1 144.4(5) . .
O4 Ag2 Ag1 75.3(5) . .
S5 Ag2 Ag1 111.04(13) . .
S3 Ag2 Ag1 51.96(12) . .
Ag7 Ag2 Ag1 95.48(6) . .
Ag4 Ag2 Ag1 60.55(5) . .
O10 Ag2 Ag3 63.7(4) . .
O4 Ag2 Ag3 134.8(5) . .
S5 Ag2 Ag3 51.25(12) . .
S3 Ag2 Ag3 113.25(14) . .
Ag7 Ag2 Ag3 62.05(6) . .
Ag4 Ag2 Ag3 93.94(6) . .
Ag1 Ag2 Ag3 148.21(7) . .
O2 Ag3 S5 122.2(4) . .
O2 Ag3 S2 111.2(4) . .
S5 Ag3 S2 126.18(17) . .
O2 Ag3 Ag9 131.1(4) . 3_766
S5 Ag3 Ag9 49.43(15) . 3_766
S2 Ag3 Ag9 90.76(16) . 3_766
O2 Ag3 Ag2 120.1(4) . .
S5 Ag3 Ag2 52.36(13) . .
S2 Ag3 Ag2 106.49(14) . .
Ag9 Ag3 Ag2 92.01(11) 3_766 .
O2 Ag3 Ag7 142.7(4) . .
S5 Ag3 Ag7 87.06(13) . .
S2 Ag3 Ag7 49.71(13) . .
Ag9 Ag3 Ag7 84.82(12) 3_766 .
Ag2 Ag3 Ag7 57.51(5) . .
O2 Ag3 Ag8 94.0(4) . .
S5 Ag3 Ag8 115.45(14) . .
S2 Ag3 Ag8 50.74(13) . .
Ag9 Ag3 Ag8 66.24(10) 3_766 .
Ag2 Ag3 Ag8 145.50(7) . .
Ag7 Ag3 Ag8 92.64(6) . .
S5 Ag4 S1 159.11(18) . .
S5 Ag4 O13 86.3(6) . .
S1 Ag4 O13 108.0(7) . .
S5 Ag4 O14 112.6(6) . .
S1 Ag4 O14 81.6(5) . .
O13 Ag4 O14 26.6(7) . .
S5 Ag4 Ag2 53.69(13) . .
S1 Ag4 Ag2 112.42(13) . .
O13 Ag4 Ag2 80.5(4) . .
O14 Ag4 Ag2 93.6(7) . .
S5 Ag4 Ag1 113.14(14) . .
S1 Ag4 Ag1 52.71(12) . .
O13 Ag4 Ag1 92.3(7) . .
O14 Ag4 Ag1 78.8(4) . .
Ag2 Ag4 Ag1 60.20(5) . .
O7 Ag5 S4 112.5(5) . .
O7 Ag5 S1 113.4(5) . .
S4 Ag5 S1 129.71(18) . .
O7 Ag5 Ag10 115.3(4) . .
S4 Ag5 Ag10 91.48(14) . .
S1 Ag5 Ag10 50.52(12) . .
O7 Ag5 Ag6 155.1(5) . .
S4 Ag5 Ag6 51.89(13) . .
S1 Ag5 Ag6 89.42(12) . .
Ag10 Ag5 Ag6 86.55(7) . .
O7 Ag5 Ag1 125.4(4) . .
S4 Ag5 Ag1 112.10(14) . .
S1 Ag5 Ag1 51.55(11) . .
Ag10 Ag5 Ag1 93.15(7) . .
Ag6 Ag5 Ag1 60.88(5) . .
O7 Ag5 Ag8 83.5(4) . 3_766
S4 Ag5 Ag8 51.83(13) . 3_766
S1 Ag5 Ag8 115.52(13) . 3_766
Ag10 Ag5 Ag8 65.70(6) . 3_766
Ag6 Ag5 Ag8 95.90(7) . 3_766
Ag1 Ag5 Ag8 150.46(7) . 3_766
S3 Ag6 S4 162.45(19) . .
S3 Ag6 O14 83.8(7) . .
S4 Ag6 O14 108.1(7) . .
S3 Ag6 Ag5 113.60(14) . .
S4 Ag6 Ag5 55.19(15) . .
O14 Ag6 Ag5 90.0(5) . .
S3 Ag6 Ag1 52.34(13) . .
S4 Ag6 Ag1 115.99(15) . .
O14 Ag6 Ag1 79.3(5) . .
Ag5 Ag6 Ag1 61.52(5) . .
S3 Ag6 Ag9A 143.8(2) . .
S4 Ag6 Ag9A 51.1(2) . .
O14 Ag6 Ag9A 90.9(6) . .
Ag5 Ag6 Ag9A 102.15(17) . .
Ag1 Ag6 Ag9A 160.62(15) . .
S3 Ag6 Ag9 149.49(16) . .
S4 Ag6 Ag9 47.72(16) . .
O14 Ag6 Ag9 80.7(6) . .
Ag5 Ag6 Ag9 92.58(9) . .
Ag1 Ag6 Ag9 147.00(10) . .
Ag9A Ag6 Ag9 13.98(10) . .
S3 Ag7 S2 160.03(18) . .
S3 Ag7 O13 84.2(7) . .
S2 Ag7 O13 108.0(8) . .
S3 Ag7 Ag2 54.41(13) . .
S2 Ag7 Ag2 110.82(14) . .
O13 Ag7 Ag2 80.6(4) . .
S3 Ag7 Ag3 114.60(14) . .
S2 Ag7 Ag3 51.16(13) . .
O13 Ag7 Ag3 90.9(6) . .
Ag2 Ag7 Ag3 60.44(6) . .
S3 Ag7 Ag10 151.68(14) . 3_766
S2 Ag7 Ag10 48.14(13) . 3_766
O13 Ag7 Ag10 81.5(6) . 3_766
Ag2 Ag7 Ag10 144.88(8) . 3_766
Ag3 Ag7 Ag10 90.01(7) . 3_766
O11 Ag8 S4 118.6(5) . 3_766
O11 Ag8 S2 128.2(5) . .
S4 Ag8 S2 113.21(17) 3_766 .
O11 Ag8 Ag5 110.1(5) . 3_766
S4 Ag8 Ag5 52.52(14) 3_766 3_766
S2 Ag8 Ag5 101.12(13) . 3_766
O11 Ag8 Ag3 120.9(5) . .
S4 Ag8 Ag3 97.42(14) 3_766 .
S2 Ag8 Ag3 48.70(12) . .
Ag5 Ag8 Ag3 128.97(7) 3_766 .
O11 Ag8 Ag10 138.5(5) . 3_766
S4 Ag8 Ag10 84.58(14) 3_766 3_766
S2 Ag8 Ag10 46.13(12) . 3_766
Ag5 Ag8 Ag10 55.03(6) 3_766 3_766
Ag3 Ag8 Ag10 85.88(6) . 3_766
Ag9A Ag9 S5 101.1(8) . 3_766
Ag9A Ag9 S4 90.7(8) . .
S5 Ag9 S4 160.3(3) 3_766 .
Ag9A Ag9 Ag3 142.8(9) . 3_766
S5 Ag9 Ag3 53.77(15) 3_766 3_766
S4 Ag9 Ag3 107.9(2) . 3_766
Ag9A Ag9 Ag6 82.0(8) . .
S5 Ag9 Ag6 148.2(3) 3_766 .
S4 Ag9 Ag6 48.65(15) . .
Ag3 Ag9 Ag6 134.50(18) 3_766 .
Ag9 Ag9A S4 71.3(8) . .
Ag9 Ag9A S5 61.7(7) . 3_766
S4 Ag9A S5 130.6(3) . 3_766
Ag9 Ag9A Ag6 84.1(8) . .
S4 Ag9A Ag6 48.44(17) . .
S5 Ag9A Ag6 133.8(3) 3_766 .
S2 Ag10 S1 164.9(2) 3_766 .
S2 Ag10 Ag5 109.90(16) 3_766 .
S1 Ag10 Ag5 56.60(14) . .
S2 Ag10 Ag7 49.43(13) 3_766 3_766
S1 Ag10 Ag7 144.58(15) . 3_766
Ag5 Ag10 Ag7 136.80(9) . 3_766
S2 Ag10 Ag8 50.69(14) 3_766 3_766
S1 Ag10 Ag8 115.15(16) . 3_766
Ag5 Ag10 Ag8 59.26(6) . 3_766
Ag7 Ag10 Ag8 91.43(6) 3_766 3_766
C1 S1 Ag10 114.1(6) . .
C1 S1 Ag4 112.7(7) . .
Ag10 S1 Ag4 94.28(19) . .
C1 S1 Ag1 117.2(6) . .
Ag10 S1 Ag1 127.4(2) . .
Ag4 S1 Ag1 76.40(14) . .
C1 S1 Ag5 117.2(7) . .
Ag10 S1 Ag5 72.87(15) . .
Ag4 S1 Ag5 129.5(2) . .
Ag1 S1 Ag5 74.49(16) . .
C5 S2 Ag10 112.2(7) . 3_766
C5 S2 Ag7 110.2(8) . .
Ag10 S2 Ag7 82.43(17) 3_766 .
C5 S2 Ag3 115.1(7) . .
Ag10 S2 Ag3 132.7(2) 3_766 .
Ag7 S2 Ag3 79.14(16) . .
C5 S2 Ag8 114.0(8) . .
Ag10 S2 Ag8 83.17(17) 3_766 .
Ag7 S2 Ag8 135.7(2) . .
Ag3 S2 Ag8 80.56(17) . .
C9 S3 Ag6 113.7(5) . .
C9 S3 Ag7 112.4(5) . .
Ag6 S3 Ag7 98.16(18) . .
C9 S3 Ag1 114.4(6) . .
Ag6 S3 Ag1 76.94(14) . .
Ag7 S3 Ag1 130.6(2) . .
C9 S3 Ag2 111.8(5) . .
Ag6 S3 Ag2 133.1(2) . .
Ag7 S3 Ag2 74.15(15) . .
Ag1 S3 Ag2 74.75(15) . .
C13 S4 Ag9 119.3(9) . .
C13 S4 Ag6 113.8(8) . .
Ag9 S4 Ag6 83.6(2) . .
C13 S4 Ag8 112.5(8) . 3_766
Ag9 S4 Ag8 88.3(2) . 3_766
Ag6 S4 Ag8 130.7(3) . 3_766
C13 S4 Ag9A 104.2(9) . .
Ag6 S4 Ag9A 80.4(3) . .
Ag8 S4 Ag9A 103.9(3) 3_766 .
C13 S4 Ag5 110.8(9) . .
Ag9 S4 Ag5 129.7(3) . .
Ag6 S4 Ag5 72.92(16) . .
Ag8 S4 Ag5 75.65(18) 3_766 .
Ag9A S4 Ag5 142.2(3) . .
C17 S5 Ag9 120.5(7) . 3_766
C17 S5 Ag4 116.6(6) . .
Ag9 S5 Ag4 91.0(2) 3_766 .
C17 S5 Ag3 110.5(7) . .
Ag9 S5 Ag3 76.80(18) 3_766 .
Ag4 S5 Ag3 130.7(2) . .
C17 S5 Ag2 109.6(7) . .
Ag9 S5 Ag2 128.8(3) 3_766 .
Ag4 S5 Ag2 75.10(15) . .
Ag3 S5 Ag2 76.38(15) . .
C17 S5 Ag9A 107.4(7) . 3_766
Ag4 S5 Ag9A 87.7(3) . 3_766
Ag3 S5 Ag9A 91.7(2) . 3_766
Ag2 S5 Ag9A 143.0(3) . 3_766
C3 C1 C2 111(2) . .
C3 C1 C4 111(2) . .
C2 C1 C4 108.3(17) . .
C3 C1 S1 110.6(15) . .
C2 C1 S1 108.0(16) . .
C4 C1 S1 108.6(14) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C8 C5 C7 116(2) . .
C8 C5 C6 112(3) . .
C7 C5 C6 106(3) . .
C8 C5 S2 107.4(14) . .
C7 C5 S2 104(2) . .
C6 C5 S2 111(2) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
O13 C21 O13 180 . 3_766
O13 C21 O14 55.5(17) . .
O13 C21 O14 124.5(17) 3_766 .
O13 C21 O14 124.5(17) . 3_766
O13 C21 O14 55.5(17) 3_766 3_766
O14 C21 O14 180 . 3_766
O13 C21 O15 117.9(17) . .
O13 C21 O15 62.1(17) 3_766 .
O14 C21 O15 62.4(17) . .
O14 C21 O15 117.6(17) 3_766 .
O13 C21 O15 62.1(17) . 3_766
O13 C21 O15 117.9(17) 3_766 3_766
O14 C21 O15 117.6(17) . 3_766
O14 C21 O15 62.4(17) 3_766 3_766
O15 C21 O15 180 . 3_766
O11 C22 N6 123(3) . .
O11 C22 H22 118.7 . .
N6 C22 H22 118.7 . .
N6 C23 H23A 109.5 . .
N6 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N6 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N6 C24 H24A 109.5 . .
N6 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N6 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O10 C25 N4 127(2) . .
O10 C25 H25 116.3 . .
N4 C25 H25 116.3 . .
N4 C26 H26A 109.5 . .
N4 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
N4 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
N4 C27 H27A 109.5 . .
N4 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
N4 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O12 C28 N5 129(4) . .
O12 C28 H28 115.4 . .
N5 C28 H28 115.4 . .
N5 C29 H29A 109.5 . .
N5 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N5 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N5 C30 H30A 109.5 . .
N5 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N5 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
O3 N1 O2 121(2) . .
O3 N1 O1 122(2) . .
O2 N1 O1 117.1(17) . .
O4 N2 O6 119(2) . .
O4 N2 O5 121(2) . .
O6 N2 O5 120(2) . .
O8 N3 O7 117(2) . .
O8 N3 O9 123(2) . .
O7 N3 O9 120.2(18) . .
C25 N4 C26 122(2) . .
C25 N4 C27 125(2) . .
C26 N4 C27 113(2) . .
C28 N5 C30 120(3) . .
C28 N5 C29 121(3) . .
C30 N5 C29 119(3) . .
C22 N6 C23 118(2) . .
C22 N6 C24 122(3) . .
C23 N6 C24 120(2) . .
N1 O2 Ag3 103.5(12) . .
N2 O4 Ag2 128.1(15) . .
N2 O5 Ag1 123.0(14) . .
N3 O7 Ag5 109.2(14) . .
C25 O10 Ag2 120.6(16) . .
C22 O11 Ag8 125.7(18) . .
C28 O12 Ag1 133(2) . .
O14 O13 C21 62.4(10) . .
O14 O13 O15 121.6(13) . 3_766
C21 O13 O15 59.2(10) . 3_766
O14 O13 Ag4 81.2(19) . .
C21 O13 Ag4 127.1(16) . .
O15 O13 Ag4 137(2) 3_766 .
O14 O13 Ag7 120(3) . .
C21 O13 Ag7 118.4(16) . .
O15 O13 Ag7 88.2(18) 3_766 .
Ag4 O13 Ag7 112.5(5) . .
O13 O14 C21 62.1(10) . .
O13 O14 O15 121.1(13) . .
C21 O14 O15 59.0(10) . .
O13 O14 Ag6 121(2) . .
C21 O14 Ag6 121.7(17) . .
O15 O14 Ag6 91(2) . .
O13 O14 Ag4 72.2(19) . .
C21 O14 Ag4 120.3(18) . .
O15 O14 Ag4 141(2) . .
Ag6 O14 Ag4 113.7(5) . .
C21 O15 O13 58.7(10) . 3_766
C21 O15 O14 58.7(10) . .
O13 O15 O14 117.3(12) 3_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O5 2.338(17) .
Ag1 S3 2.487(5) .
Ag1 S1 2.502(5) .
Ag1 O12 2.548(18) .
Ag1 Ag2 3.047(2) .
Ag1 Ag4 3.057(2) .
Ag1 Ag6 3.060(2) .
Ag1 Ag5 3.079(2) .
Ag2 O10 2.426(14) .
Ag2 O4 2.452(17) .
Ag2 S5 2.516(5) .
Ag2 S3 2.531(5) .
Ag2 Ag7 2.995(3) .
Ag2 Ag4 3.018(2) .
Ag2 Ag3 3.088(2) .
Ag3 O2 2.371(16) .
Ag3 S5 2.478(5) .
Ag3 S2 2.487(5) .
Ag3 Ag9 2.991(4) 3_766
Ag3 Ag7 3.136(3) .
Ag3 Ag8 3.266(3) .
Ag4 S5 2.434(5) .
Ag4 S1 2.440(5) .
Ag4 O13 2.46(2) .
Ag4 O14 2.56(3) .
Ag5 O7 2.346(14) .
Ag5 S4 2.541(6) .
Ag5 S1 2.584(6) .
Ag5 Ag10 2.957(3) .
Ag5 Ag6 2.958(2) .
Ag5 Ag8 3.102(2) 3_766
Ag6 S3 2.432(5) .
Ag6 S4 2.435(5) .
Ag6 O14 2.52(3) .
Ag6 Ag9A 3.209(7) .
Ag6 Ag9 3.224(5) .
Ag7 S3 2.434(5) .
Ag7 S2 2.436(5) .
Ag7 O13 2.49(2) .
Ag7 Ag10 3.179(3) 3_766
Ag8 O11 2.287(17) .
Ag8 S4 2.517(6) 3_766
Ag8 S2 2.563(6) .
Ag8 Ag5 3.102(2) 3_766
Ag8 Ag10 3.289(3) 3_766
Ag9 Ag9A 0.783(6) .
Ag9 S5 2.334(7) 3_766
Ag9 S4 2.400(7) .
Ag9 Ag3 2.991(4) 3_766
Ag9A S4 2.534(9) .
Ag9A S5 2.601(8) 3_766
Ag10 S2 2.388(5) 3_766
Ag10 S1 2.389(5) .
Ag10 Ag7 3.179(3) 3_766
Ag10 Ag8 3.289(3) 3_766
S1 C1 1.86(2) .
S2 C5 1.88(2) .
S2 Ag10 2.388(5) 3_766
S3 C9 1.900(14) .
S4 C13 1.87(3) .
S4 Ag8 2.517(6) 3_766
S5 C17 1.866(18) .
S5 Ag9 2.334(7) 3_766
S5 Ag9A 2.601(8) 3_766
C1 C3 1.48(3) .
C1 C2 1.52(3) .
C1 C4 1.55(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C8 1.48(3) .
C5 C7 1.496(10) .
C5 C6 1.497(10) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C12 1.496(9) .
C9 C10 1.501(9) .
C9 C11 1.508(9) .
C9 C12A 1.511(9) .
C9 C10A 1.511(9) .
C10 C10A 1.427(15) .
C10 C11A 1.485(14) .
C10 H10A 0.9600 .
C10 H10B 0.9599 .
C10 H10C 0.9599 .
C10A C12 1.452(14) .
C10A H10F 0.9601 .
C10A H10D 0.9600 .
C10A H10G 0.9600 .
C11 C11A 1.416(14) .
C11 C12A 1.454(14) .
C11 H11A 0.9602 .
C11 H11B 0.9598 .
C11 H11C 0.9599 .
C11A H11F 0.9600 .
C11A H11D 0.9601 .
C12A H12A 0.9600 .
C12A H12B 0.9600 .
C12A H11E 0.9599 .
C12 H12 0.9599 .
C12 H10H 0.9601 .
C12 H12C 0.9600 .
C13 C16 1.49(4) .
C13 C14 1.50(4) .
C13 C15 1.54(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18A 1.506(15) .
C17 C20A 1.506(15) .
C17 C19A 1.509(15) .
C17 C20 1.520(15) .
C17 C18 1.530(15) .
C17 C19 1.533(15) .
C18A C18 1.439(15) .
C18A C19 1.486(15) .
C18A H18A 0.9601 .
C18A H18B 0.9600 .
C18A H18C 0.9602 .
C18 C20A 1.445(15) .
C18 H18F 0.9600 .
C18 H18G 0.9597 .
C18 H18D 0.9602 .
C19 C19A 1.411(15) .
C19 H19A 0.9601 .
C19 H18E 0.9601 .
C19 H19B 0.9600 .
C19A C20 1.461(15) .
C19A H19D 0.9601 .
C19A H19C 0.9599 .
C20 C20A 1.454(15) .
C20 H20A 0.9600 .
C20 H19F 0.9601 .
C20A H20D 0.9600 .
C20A H20C 0.9600 .
C20A H18H 0.9598 .
C21 O13 1.243(10) .
C21 O13 1.243(10) 3_766
C21 O14 1.247(10) .
C21 O14 1.247(10) 3_766
C21 O15 1.251(10) .
C21 O15 1.251(10) 3_766
C22 O11 1.24(3) .
C22 N6 1.36(3) .
C22 H22 0.9500 .
C23 N6 1.45(3) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 N6 1.46(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 O10 1.24(3) .
C25 N4 1.31(3) .
C25 H25 0.9500 .
C26 N4 1.39(3) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 N4 1.41(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 O12 1.24(4) .
C28 N5 1.34(3) .
C28 H28 0.9500 .
C29 N5 1.41(4) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 N5 1.38(4) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
N1 O3 1.20(2) .
N1 O2 1.25(2) .
N1 O1 1.29(2) .
N2 O4 1.21(2) .
N2 O6 1.21(2) .
N2 O5 1.23(2) .
N3 O8 1.20(2) .
N3 O7 1.22(2) .
N3 O9 1.24(2) .
N7 O18 1.215(9) .
N7 O16 1.220(9) .
N7 O17 1.227(9) .
O13 O14 1.16(3) .
O13 O15 1.29(3) 3_766
O14 O15 1.29(3) .
O15 O13 1.29(3) 3_766
